1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile
TL;DR: 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile (CAS 52373-91-8) is a chemical compound with molecular formula C20H16N4O2 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(butylamino)-9,10-dioxoanthracene-2,3-dicarbonitrile
Also Known As: 1-Amino-2,3-dicyano-4-(butylamino)anthraquinone, 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile, 1-amino-4-(butylamino)-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile, 1-amino-4-(butylamino)-9,10-dioxoanthracene-2,3-dicarbonitrile, 1-amino-4- -9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile
| Molecular Formula | C20H16N4O2 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.12732 |
| Heavy Atoms | 26 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 52373-91-8 |
|---|---|
| SMILES | CCCCNC1=C2C(=C(C(=C1C#N)C#N)N)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | AVXVHLZKHDDRRM-UHFFFAOYSA-N |
Product Overview
1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile (CAS 52373-91-8), with molecular formula C20H16N4O2 and molecular weight 344.13 g/mol. IUPAC: 1-amino-4-(butylamino)-9,10-dioxoanthracene-2,3-dicarbonitrile.
Chemical Property Profile of 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile
Property Insights of 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile
The XLogP value of 4.0 indicates that 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile?
The CAS number of 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile is 52373-91-8.
What is the molecular formula of 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile?
The molecular formula of 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile is C20H16N4O2.
What is the molecular weight of 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile?
The molecular weight of 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile is 344.13 g/mol.
Where can I buy 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile?
You can request a quote for 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.